2,5-diethoxy-N-hexan-2-ylaniline

C16H27NO2 — CID 43759242

IUPAC2,5-diethoxy-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C16H27NO2/c1-5-8-9-13(4)17-15-12-14(18-6-2)10-11-16(15)19-7-3/h10-13,17H,5-9H2,1-4H3
InChIKeyMICPMBKQBIAKBO-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.47
Rot. Bonds9

About 2,5-diethoxy-N-hexan-2-ylaniline

2,5-diethoxy-N-hexan-2-ylaniline (PubChem CID 43759242) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,5-diethoxy-N-hexan-2-ylaniline.

Molecular Properties

Compound Name2,5-diethoxy-N-hexan-2-ylaniline
PubChem CID43759242
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,5-diethoxy-N-hexan-2-ylaniline
SMILESCCCCC(C)Nc1cc(OCC)ccc1OCC
InChIInChI=1S/C16H27NO2/c1-5-8-9-13(4)17-15-12-14(18-6-2)10-11-16(15)19-7-3/h10-13,17H,5-9H2,1-4H3
InChIKeyMICPMBKQBIAKBO-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-ethoxy-N-hexan-2-ylaniline
CID 63451337
2,5-diethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115928387
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
N-hexan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63451236
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-hexan-2-ylaniline?
The IUPAC name of 2,5-diethoxy-N-hexan-2-ylaniline (CID 43759242) is 2,5-diethoxy-N-hexan-2-ylaniline.
What is the SMILES notation for 2,5-diethoxy-N-hexan-2-ylaniline?
The canonical SMILES for 2,5-diethoxy-N-hexan-2-ylaniline is CCCCC(C)Nc1cc(OCC)ccc1OCC.
What is the InChIKey of 2,5-diethoxy-N-hexan-2-ylaniline?
The InChIKey is MICPMBKQBIAKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-8-9-13(4)17-15-12-14(18-6-2)10-11-16(15)19-7-3/h10-13,17H,5-9H2,1-4H3.
What are the key properties of 2,5-diethoxy-N-hexan-2-ylaniline?
2,5-diethoxy-N-hexan-2-ylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-hexan-2-ylaniline is sourced from PubChem (CID 43759242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).